SCHEMBL2497814

SCHEMBL2497814

CCN(Oc1ccccc1)S(=O)(=O)C(NC(=O)c1c(O)cccc1OC)C1(c2cccc(F)c2)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.34
KCNH2 Q12809 1/20 0.34
ITGA4 P13612 3/20 0.33
ITGB7 P26010 3/20 0.33
ITGB1 P05556 2/20 0.33
MMP13 P45452 1/20 0.33
SOAT1 P35610 2/20 0.32
CCR3 P51677 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
SLC6A9 P48067 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2471510 0.88 SOAT1 (0.34) CCR8KCNH2ITGA4ITGB7ITGB1
SCHEMBL2468085 0.85 SOAT1 (0.32) ITGA4ITGB7ITGB1SOAT1CCR3
SCHEMBL2469967 0.84 SOAT1 (0.35) SOAT1SLC6A9
SCHEMBL2492124 0.84 SOAT1 (0.32) ITGA4ITGB7ITGB1SOAT1CCR3
SCHEMBL2701752 0.82 ALDH1A1 (0.41) ITGA4ITGB7ITGB1OPRM1SLC6A9
SCHEMBL2471159 0.80 SLC6A9 (0.36) CCR8KCNH2ITGA4ITGB7ITGB1
SCHEMBL2471272 0.80 PNLIP (0.34) SOAT1
SCHEMBL2468487 0.79 ALDH1A1 (0.33) CCR8KCNH2ITGA4ITGB7ITGB1
SCHEMBL2470579 0.79 KMT2A (0.34) ITGA4ITGB7ITGB1CCR3SLC6A9
SCHEMBL2469411 0.79 SMN1; SMN2 (0.34) CCR8KCNH2ITGA4ITGB7ITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CCR8 4685/4885KCNH2 2/4885ITGA4 4566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.